Glycoside
...
GD004334

Name:
None

Formula:
C22H22O4N6F3Cl

Smiles:
OC[C@@H]1O[C@H](n2cnc3c(N4CCN(c5ccc(C(F)(F)F)cc5)CC4)nc(Cl)nc32)[C@H](O)[C@H]1O

Aglycone:
FC(F)(F)c1ccc(N2CCN(c3nc(Cl)nc4c3N=C[N]4)CC2)cc1

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 3 FractionCSP3: 0.48
AlogP: 1.44 Num_rotatable_bonds: 4
MolWt: 514.89 Num_heavy_atoms: 35
TPSA: 120.0 NumAromaticRings: 3

Unique Aglycone
AD03801
Formula: C17H13N6F3Cl

Smiles:
FC(F)(F)c1ccc(N2CCN(c3nc(Cl)nc4c3N=C[N]4)CC2)cc1
HBA: 6 RingCount: 4
HBD: 0 FractionCSP3: 0.31
AlogP: 3.38 Num_rotatable_bonds: 2
MolWt: 381.77 Num_heavy_atoms: 26
TPSA: 58.72 NumAromaticRings: 2

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O